tert-butyl (2S)-2-(2-chloroacetyl)piperidine-1-carboxylate

tert-butyl (2S)-2-(2-chloroacetyl)piperidine-1-carboxylate

CAS: 1260595-49-0

Formula: C12H20ClNO3

SMILES: CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)CCl

IUPAC: tert-butyl (2S)-2-(2-chloroacetyl)piperidine-1-carboxylate

InChI: InChI=1S/C12H20ClNO3/c1-12(2,3)17-11(16)14-7-5-4-6-9(14)10(15)8-13/h9H,4-8H2,1-3H3/t9-/m0/s1

Composition: C (55.07%), H (7.70%), Cl (13.54%), N (5.35%), O (18.34%)

Molar Mass: 261.75

Atom Count: 37

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	261.1131712
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OLKZBAFBHRIJEV-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.96
Topological Polar Surface Area	46.61
Polarizability	25.97
Ring Count	1
Rotatable Bond Count	4

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